@MOLECULE TAZ 32 34 1 0 0 SMALL bcc @ATOM 1 S1 1.4980 0.3860 0.2110 s6 0 TAZ 1.179600 2 C2 -0.3300 0.1660 0.0540 c3 0 TAZ -0.256600 3 C3 -0.5330 0.9130 -1.2970 c3 0 TAZ 0.041000 4 C5 1.8840 0.4150 -1.5920 cy 0 TAZ -0.181300 5 C6 1.9880 -0.9820 -2.2010 cy 0 TAZ -0.135300 6 C7 0.6440 -0.6220 -2.7740 c 0 TAZ 0.678500 7 C9 -1.8390 0.4840 -1.9140 c 0 TAZ 0.641400 8 N4 0.5600 0.5990 -2.2160 n 0 TAZ -0.364000 9 C20 -0.7130 -1.3110 -0.0540 c3 0 TAZ -0.095100 10 C14 -1.0810 0.8530 1.1960 c3 0 TAZ 0.084200 11 C19 -0.0860 -0.2140 4.4760 cc 0 TAZ 0.251500 12 C18 -0.1890 0.7580 3.5410 cd 0 TAZ -0.213200 13 N15 -0.7670 0.1830 2.4610 na 0 TAZ 0.011900 14 N16 -0.9980 -1.0520 2.7370 nd 0 TAZ -0.163100 15 N17 -0.5980 -1.3220 3.9290 nc 0 TAZ -0.348800 16 O12 1.7730 1.6630 0.7710 o 0 TAZ -0.593700 17 O13 2.0650 -0.7770 0.7950 o 0 TAZ -0.567500 18 O8 -0.1130 -1.2320 -3.4980 o 0 TAZ -0.481400 19 O10 -1.8680 0.0910 -3.0570 o 0 TAZ -0.508800 20 O11 -2.9710 0.5370 -1.1940 oh 0 TAZ -0.600800 21 HC3 -0.5550 1.9870 -1.1160 h1 0 TAZ 0.113900 22 HC51 2.6590 1.1190 -1.8930 h2 0 TAZ 0.148900 23 HC61 2.7790 -1.0910 -2.9430 hc 0 TAZ 0.101800 24 HC62 1.9640 -1.7920 -1.4720 hc 0 TAZ 0.111600 25 H201 -0.4780 -1.8170 0.8810 hc 0 TAZ 0.080400 26 H202 -1.7810 -1.3960 -0.2550 hc 0 TAZ 0.074600 27 H203 -0.1520 -1.7720 -0.8670 hc 0 TAZ 0.065900 28 H141 -0.7770 1.8980 1.2540 h1 0 TAZ 0.082900 29 H142 -2.1540 0.7970 1.0120 h1 0 TAZ 0.103600 30 H191 0.3290 -0.1150 5.4680 h4 0 TAZ 0.061400 31 H181 0.1250 1.7870 3.6370 h4 0 TAZ 0.218800 32 H11 -3.8090 0.2620 -1.5900 ho 0 TAZ 0.457800 @BOND 1 1 2 1 2 1 4 1 3 1 16 1 4 1 17 1 5 2 3 1 6 2 9 1 7 2 10 1 8 3 7 1 9 3 8 1 10 3 21 1 11 4 5 1 12 4 8 1 13 4 22 1 14 5 6 1 15 5 23 1 16 5 24 1 17 6 8 1 18 6 18 2 19 7 19 2 20 7 20 1 21 9 25 1 22 9 26 1 23 9 27 1 24 10 13 1 25 10 28 1 26 10 29 1 27 11 12 ar 28 11 15 ar 29 11 30 1 30 12 13 ar 31 12 31 1 32 13 14 ar 33 14 15 ar 34 20 32 1 @SUBSTRUCTURE 1 TAZ 1 TEMP 0 **** **** 0 ROOT